SCHEMBL725257

SCHEMBL725257

Cc1cccc2c(CN(C)C(=O)C=Cc3ccc(N)nc3)cn(C)c12

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
TRPM5 Q9NZQ8 1/20 0.37
HPGD P15428 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL725254 1.00 POLB (0.38) POLBTRPM5HPGDHDAC1HDAC2
SCHEMBL727165 0.90 PTGS2 (0.40) POLBHDAC1HDAC2HDAC6
SCHEMBL727168 0.90 PTGS2 (0.40) POLBHDAC1HDAC2HDAC6
SCHEMBL725930 0.90 POLB (0.36) POLBHDAC1HDAC2HDAC6
SCHEMBL726056 0.90 POLB (0.36) POLBHDAC1HDAC2HDAC6
SCHEMBL726053 0.90 POLB (0.36) POLBHDAC1HDAC2HDAC6
SCHEMBL725927 0.90 POLB (0.36) POLBHDAC1HDAC2HDAC6
SCHEMBL724679 0.89 POLB (0.35) POLBHDAC1HDAC2HDAC6
SCHEMBL724682 0.89 POLB (0.35) POLBHDAC1HDAC2HDAC6
SCHEMBL727102 0.88 FBP1 (0.38) POLBTRPM5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4803935-B2 2011-10-26 JP claimed
US-6846819-B1 Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2005-01-25 US claimed
EP-1226138-B1 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2004-12-29 EP claimed
EP-1226138-A4 FAB I INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-03-05 EP claimed
EP-1226138-A1 FAB I INHIBITORS SmithKline Beecham Corporation (US) 2002-07-31 EP claimed
WO-2001027103-A1 FAB I INHIBITORS SMITHKLINE BEECHAM CORPORATION (GB) 2001-04-19 WO claimed
US-20130281442-A1 Compounds for Treatment of Bovine Mastitis DEBIOPHARM INTERNATIONAL SA (CH) 2013-10-24 US disclosed
EP-2579863-A2 COMPOUNDS FOR TREATMENT OF BOVINE MASTITIS Affinium Pharmaceuticals, Inc. (CA) 2013-04-17 EP disclosed
WO-2011156811-A2 COMPOUNDS FOR TREATMENT OF BOVINE MASTITIS AFFINIUM PHARMACEUTICALS, INC. (CA) 2011-12-15 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130281442-A1 Compounds for Treatment of Bovine Mastitis LPO, MPO, MMP8 POLB 2413/4885TRPM5 1394/4885HPGD 163/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.